[gmx-users] Hessian matrix conversion

Lei Zhou zhoumadison at gmail.com
Mon May 15 22:02:48 CEST 2006


I am trying to convert the binary Hessian matrix (nm.mtx) into a readable
ascii format. According to the recommendations on this email list, I rename
the nm.mtx to nm.trr and tried to use gmxdump. However, there is an error
message liketrn version:

Program gmxdump, VERSION 3.3.1
Source code file: trnio.c, line: 69
Fatal error:
Float size 401. Maybe different CPU?

I am using gromacs 3.3.1. Also I am wondering there is any new update on the
extration of C-alpha modes based on the all-atom Hessian matrix? Thanks for
the help.

Lei Zhou
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